4-aminooxolan-2-one

• ChemBase ID: 799350
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: O1C(=O)CC(C1)N
• Canonical SMILES: NC1CC(=O)OC1
• InChI: InChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2
• InChIKey: IFDRUMHFSJJIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminooxolan-2-one
• IUPAC Traditional name: 4-aminooxolan-2-one
• Synonyms: 4-amino-dihydrofuran-2(3H)-one

Database IDs

• CAS Number: 16504-58-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6317945
• LogD (pH = 7.4): -2.0784757
• Log P: -0.8763266
• Molar Refractivity: 23.1731 cm^3
• Polarizability: 9.7096 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%